UCSF

ZINC36360229

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.57 7.63 -10.17 1 5 0 60 353.809 3
Ref Reference (pH 7) 3.38 10.29 -9.89 1 5 0 56 353.809 3
Lo Low (pH 4.5-6) 3.57 8.09 -31.21 2 5 1 61 354.817 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )